Lectures
Lectures
JGU Mainz. SUmmer semester 2011/2012
Ab initio molecular dynamics: basic theory and advanced methods
J.-Prof. Marialore Sulpizi and Dr. Davide Donadio
See also: link
TOPICS:
•Basic principles of linear response theory
•Determination of phase diagrams by ab initio simulations
•Transition state theory and path sampling
•Feynman’s path integrals
BIBLIOGRAPHY
•Mark E. Tuckermann “Statistical Mechanics: Theory and Molecular Simulations” - Oxford University Press
•David Chandler “Introduction to Modern Statistical Mechanics” - Oxford University Press